(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide

C12H15ClN2O — CID 104901241

IUPAC(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C12H15ClN2O/c1-8-4-2-5-9(13)11(8)15-12(16)10-6-3-7-14-10/h2,4-5,10,14H,3,6-7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyHMQAYNHDQBMLCA-SNVBAGLBSA-N
MW238.72 g/mol
LogP2.34
Rot. Bonds2

About (2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide

(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide (PubChem CID 104901241) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is (2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide
PubChem CID104901241
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)[C@H]1CCCN1
InChIInChI=1S/C12H15ClN2O/c1-8-4-2-5-9(13)11(8)15-12(16)10-6-3-7-14-10/h2,4-5,10,14H,3,6-7H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyHMQAYNHDQBMLCA-SNVBAGLBSA-N
XLogP2.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethylphenyl)azepane-2-carboxamide
CID 64562214
N-(2-chloro-6-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114429222
N-(2-ethyl-6-methylphenyl)azepane-2-carboxamide
CID 64562791
N-(2-methyl-6-propan-2-ylphenyl)piperidine-2-carboxamide
CID 10730082
(2R)-N-[2-chloro-6-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 28951007
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
N-(2,3,6-trimethylphenyl)piperidine-2-carboxamide
CID 155036949
N-(2,6-difluorophenyl)pyrrolidine-2-carboxamide
CID 43124050
(2S)-N-[3-chloro-2-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 61154948
2-methyl-6-[[(2S)-pyrrolidine-2-carbonyl]amino]benzoic acid
CID 53360304
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide (CID 104901241) is (2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide is Cc1cccc(Cl)c1NC(=O)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is HMQAYNHDQBMLCA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-8-4-2-5-9(13)11(8)15-12(16)10-6-3-7-14-10/h2,4-5,10,14H,3,6-7H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide?
(2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-6-methylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 104901241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).